0  B14R0.392  CCCCCCCCCCCCCCC C08388 [0,0,0,0,0,0|1,0,1]=2
1  B13R0.336  CCCCCCCCCCCCCO C14509 [1,0,0,0,0,0|0,0,1]=2
2  B15R0.70  CCCCCCCCCCCCCCC=O C01948 [0,1,0,0,0,0|0,0,0]=1
3  B15R0.164  CCCCCCCCCCCCCC(=O)O C06424 [0,1,0,0,0,0|0,0,0]=1
4  B15R0.164  CCCCCCCCCCCCNC(=N)N C18723 [0,1,0,0,0,0|2,0,0]=3
5  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O C08322 [0,1,0,0,0,0|0,0,2]=3
6  B12R0.5  CCCCCCCCCCCC=O C02278 [2,0,0,0,0,0|0,0,0]=2
7  B12R0.5  CCCCCCCCCCCCC C13834 [2,0,0,0,0,0|0,0,0]=2
8  B12R0.5  CCCCCCCCCCCCO C02277 [2,0,0,0,0,0|0,0,1]=3
9  B14R0.394  CCCCCCCCCCCCC(=O)O C17076 [1,1,0,0,0,0|0,0,0]=2
10  B14R0.394  O=C(O)CCCCCCCCCCCO C08317 [1,1,0,0,0,0|1,0,0]=3
11  B16R0.221  [*]SC(=O)CCCCCCCCCCCCC C05761 [0,2,0,0,0,0|0,0,0]=2
12  B16R0.221  [*]SC(=O)\C=C\CCCCCCCCCCC C05760 [0,2,0,0,0,0|0,0,2]=4
13  B16R0.274  CCCCCCCCCCCCCCC(=O)O C16537 [0,2,0,0,0,0|0,0,0]=2
14  B16R0.303  CCCCCCCCCCCCCCCC=O C00517 [0,2,0,0,0,0|0,0,0]=2
15  B16R0.303  CCCCCCCCCCCCCCCCC C01816 [0,2,0,0,0,0|1,0,1]=4
16  B16R0.303  CCCCCCCCCCCCCCCCO C00823 [0,2,0,0,0,0|0,0,2]=4
17  B16R0.303  CCCCCCCCCCCCC\C=C\C=O C06123 [0,2,0,0,0,0|0,0,0]=2
18  B16R0.303  CCC\C=C/C=C/CCCCCCCCC=O C20128 [0,2,0,0,0,0|0,0,2]=4
19  B16R0.165  CCC(C)CCCCCCCCCCC(=O)O C16665 [0,2,0,0,0,0|0,0,0]=2
20  B16R0.224  CCCCCCCCCCCC[C@H](O)C(=O)O C13790 [0,2,0,0,0,0|0,0,0]=2
21  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)[O-] C11166 [0,2,0,0,0,0|2,0,0]=4
22  B16R1.1193  CCCCCCCCCCCC1CCCS1 C11082 [0,1,0,1,0,0|0,1,1]=4